Publication
Title
Bosonised DFT potential estimated from QMC calculations of the ground-state density for the inhomogeneous electron liquid in Be
Author
Abstract
To avoid the solution of numerous Kohn-Sham one-body potential equations for wave functions in density functional theory, various groups independently proposed the use of Pauli potential to bosonise the customary one-body potential theory. Here, we utilise our recent quantum Monte Carlo calculations of the ground-state electron density of the Be atom to estimate the bosonised one-body potential V-B(r) and hence extract the Pauli potential for this atom.
Language
English
Source (journal)
Physics and chemistry of liquids. - London
Publication
London : 2015
ISSN
0031-9104
Volume/pages
53:6(2015), p. 679-684
ISI
000357487800001
Full text (Publisher's DOI)
Full text (publisher's version - intranet only)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.09.2015
Last edited 11.07.2017
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